SCHEMBL17371117

SCHEMBL17371117

COc1ccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CN=[N+]=[N-])C(O)[C@@H]2O)cc1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.60
▸ SLC29A1 Q99808 3/20 0.60
▸ AHCY P23526 1/20 0.60
▸ TP53 P04637 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ ADORA1 P30542 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13975625 1.00 ADORA3 (0.60) ADORA3SLC29A1AHCYTP53TDP1
SCHEMBL13966418 1.00 ADORA3 (0.60) ADORA3SLC29A1AHCYTP53TDP1
SCHEMBL21139428 1.00 ADORA3 (0.60) ADORA3SLC29A1AHCYTP53TDP1
SCHEMBL17371112 0.87 SLC29A1 (0.78) ADORA3SLC29A1TP53TDP1ADORA1
SCHEMBL21139431 0.87 SLC29A1 (0.78) ADORA3SLC29A1TP53TDP1ADORA1
SCHEMBL17825909 0.87 SLC29A1 (0.78) ADORA3SLC29A1TP53TDP1ADORA1
SCHEMBL640072 0.87 SLC29A1 (0.78) ADORA3SLC29A1TP53TDP1ADORA1
SCHEMBL640071 0.87 SLC29A1 (0.78) ADORA3SLC29A1TP53TDP1ADORA1
SCHEMBL13975623 0.87 SLC29A1 (0.78) ADORA3SLC29A1TP53TDP1ADORA1
SCHEMBL13966422 0.87 SLC29A1 (0.78) ADORA3SLC29A1TP53TDP1ADORA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2498774-B1 DUAL-ACTION COMPOUNDS TARGETING ADENOSINE A2A RECEPTOR AND ADENOSINE TRANSPORTER FOR PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES ACADEMIA SINICA (TW) 2017-10-11 — — EP disclosed
US-20150374737-A1 Dual-Action Compounds Targeting Adenosine A2A Receptor and Adenosine Transporter for Prevention and Treatment of Neurodegenerative Diseases ACADEMIA SINICA (TW) 2015-12-31 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150374737-A1 Dual-Action Compounds Targeting Adenosine A2A Receptor and Adenosine Transporter for Prevention and Treatment of Neurodegenerative Diseases ADORA2A, ADORA1, ADORA3 ADORA3 3/4885SLC29A1 6/4885AHCY 740/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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